Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9d39d6b8a8b7213f93d17f6ef531ea3e",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 116.327,
"b": 116.327,
"c": 91.339,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,2.100],
"number_observations_unique": 41914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.14,2.10],
"number_observations_unique": 2079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.801
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.80
}
]
},
{
"resolution_limits": [2.18,2.14],
"number_observations_unique": 2071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.747
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.90
}
]
},
{
"resolution_limits": [2.22,2.18],
"number_observations_unique": 2045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.639
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.90
}
]
},
{
"resolution_limits": [2.26,2.22],
"number_observations_unique": 2095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.566
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.90
}
]
},
{
"resolution_limits": [2.31,2.26],
"number_observations_unique": 2078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.493
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.90
}
]
},
{
"resolution_limits": [2.37,2.31],
"number_observations_unique": 2054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.441
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.90
}
]
},
{
"resolution_limits": [2.42,2.37],
"number_observations_unique": 2117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.390
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.90
}
]
},
{
"resolution_limits": [2.49,2.42],
"number_observations_unique": 2040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.90
}
]
},
{
"resolution_limits": [2.56,2.49],
"number_observations_unique": 2078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.90
}
]
},
{
"resolution_limits": [2.65,2.56],
"number_observations_unique": 2090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.90
}
]
},
{
"resolution_limits": [2.74,2.65],
"number_observations_unique": 2094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.90
}
]
},
{
"resolution_limits": [2.85,2.74],
"number_observations_unique": 2072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.90
}
]
},
{
"resolution_limits": [2.98,2.85],
"number_observations_unique": 2103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.90
}
]
},
{
"resolution_limits": [3.14,2.98],
"number_observations_unique": 2092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.90
}
]
},
{
"resolution_limits": [3.33,3.14],
"number_observations_unique": 2083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.80
}
]
},
{
"resolution_limits": [3.59,3.33],
"number_observations_unique": 2106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.80
}
]
},
{
"resolution_limits": [3.95,3.59],
"number_observations_unique": 2111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.70
}
]
},
{
"resolution_limits": [4.52,3.95],
"number_observations_unique": 2129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.60
}
]
},
{
"resolution_limits": [5.69,4.52],
"number_observations_unique": 2148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.20
}
]
},
{
"resolution_limits": [30.00,5.69],
"number_observations_unique": 2229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.10
}
]
}
]
}